N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C15H20F3N5O — CID 128998865

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCCc1nnc(CN(C)CC2CCc3nc(C(F)(F)F)cn3C2)o1
InChIInChI=1S/C15H20F3N5O/c1-3-13-20-21-14(24-13)9-22(2)6-10-4-5-12-19-11(15(16,17)18)8-23(12)7-10/h8,10H,3-7,9H2,1-2H3
InChIKeyVBUIJHYECSLBDN-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.54
Rot. Bonds5

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 128998865) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID128998865
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCCc1nnc(CN(C)CC2CCc3nc(C(F)(F)F)cn3C2)o1
InChIInChI=1S/C15H20F3N5O/c1-3-13-20-21-14(24-13)9-22(2)6-10-4-5-12-19-11(15(16,17)18)8-23(12)7-10/h8,10H,3-7,9H2,1-2H3
InChIKeyVBUIJHYECSLBDN-UHFFFAOYSA-N
XLogP2.54
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 128998865) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is CCc1nnc(CN(C)CC2CCc3nc(C(F)(F)F)cn3C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is VBUIJHYECSLBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-3-13-20-21-14(24-13)9-22(2)6-10-4-5-12-19-11(15(16,17)18)8-23(12)7-10/h8,10H,3-7,9H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 343.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 128998865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).